4-[[(3,4-dimethoxyphenyl)carbamothioylamino]methyl]benzoate

Systemtic Name: 4-[[(3,4-dimethoxyphenyl)carbamothioylamino]methyl]benzoate Openeye Name: 4-[[(3,4-dimethoxyphenyl)carbamothioylamino]methyl]benzoate CAS Name: 4-[[[(3,4-dimethoxyanilino)-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[(3,4-dimethoxyphenyl)carbamothioylamino]methyl]benzoate Traditional Name: 4-[[(3,4-dimethoxyphenyl)thiocarbamoylamino]methyl]benzoate Formula: C17H17N2O4S- MolecularWeight: 345.39288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C(=O)[O-])OC

InChI

InChI=1S/C17H18N2O4S/c1-22-14-8-7-13(9-15(14)23-2)19-17(24)18-10-11-3-5-12(6-4-11)16(20)21/h3-9H,10H2,1-2H3,(H,20,21)(H2,18,19,24)/p-1